Geometry & MOs

Info

ID:	293
PubChem CID:	2524
Reduced:	O3C27H44 (1)
Stoich.:	A3B27C44 (1)
Weight, g/mol:	416.329045
ΔH_f, kcal/mol:	-184.16
Dipole, Da:	2.86
IP(EA), eV:	-8.67(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Drug info:

PubChemData

Smile

CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C

DOS

IR

Vibrations